N-Boc-DL-leucinol - CAS 142121-48-0

Catalog:	BB009300
Product Name:	N-Boc-DL-leucinol
CAS:	142121-48-0
Synonyms:	N-(1-hydroxy-4-methylpentan-2-yl)carbamic acid tert-butyl ester; tert-butyl N-(1-hydroxy-4-methylpentan-2-yl)carbamate

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Computed Properties

IUPAC Name:	tert-butyl N-(1-hydroxy-4-methylpentan-2-yl)carbamate
Description:	N-Boc-DL-leucinol (CAS# 142121-48-0) is a useful research chemical.
Molecular Weight:	217.31
Molecular Formula:	C11H23NO3
Canonical SMILES:	CC(C)CC(CO)NC(=O)OC(C)(C)C
InChI:	InChI=1S/C11H23NO3/c1-8(2)6-9(7-13)12-10(14)15-11(3,4)5/h8-9,13H,6-7H2,1-5H3,(H,12,14)
InChI Key:	LQTMEOSBXTVYRM-UHFFFAOYSA-N
Boiling Point:	213 °C (lit.)
Density:	0.983 g/mL at 25°C(lit.)
MDL:	MFCD01883028
LogP:	2.30900

Publication Number	Title	Priority Date
US-2020361960-A1	Sulfur-containing polycyclic-hydroxypyridone carboxamide analog against hiv	20180523
US-2019127411-A1	Glycolipopeptide biosurfactants	20160406
US-2020207799-A1	Glycolipopeptide biosurfactants	20160406
WO-2015153720-A1	Biaryl kinase inhibitors	20140402
EA-028587-B1	Aryl lactam kinase inhibitors	20140129

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	197
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	217.16779360
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	217.16779360
Rotatable Bond Count:	6
Topological Polar Surface Area:	58.6 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2